2-hydroxyimino-N-(4-methoxy-2-nitrophenyl)acetamide

C9H9N3O5 — CID 23255692

IUPAC2-hydroxyimino-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)C=NO)c([N+](=O)[O-])c1
InChIInChI=1S/C9H9N3O5/c1-17-6-2-3-7(8(4-6)12(15)16)11-9(13)5-10-14/h2-5,14H,1H3,(H,11,13)
InChIKeyCMLIEFWWLSDKND-UHFFFAOYSA-N
MW239.19 g/mol
LogP1.00
Rot. Bonds4

About 2-hydroxyimino-N-(4-methoxy-2-nitrophenyl)acetamide

2-hydroxyimino-N-(4-methoxy-2-nitrophenyl)acetamide (PubChem CID 23255692) has the molecular formula C9H9N3O5 and a molecular weight of 239.19 g/mol. Its IUPAC name is 2-hydroxyimino-N-(4-methoxy-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-hydroxyimino-N-(4-methoxy-2-nitrophenyl)acetamide
PubChem CID23255692
Molecular FormulaC9H9N3O5
Molecular Weight239.19 g/mol
Exact Mass239.05
IUPAC Name2-hydroxyimino-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)C=NO)c([N+](=O)[O-])c1
InChIInChI=1S/C9H9N3O5/c1-17-6-2-3-7(8(4-6)12(15)16)11-9(13)5-10-14/h2-5,14H,1H3,(H,11,13)
InChIKeyCMLIEFWWLSDKND-UHFFFAOYSA-N
XLogP1.00
TPSA114.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-hydroxyimino-N-(4-methoxy-2-nitrophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methoxy-2-nitrophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 2931371
N-(4-methoxy-2-nitrophenyl)-2-nitrosoacetamide
CID 90848222
4-(4-methoxy-2-nitroanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496515
(2R)-2-amino-N-(4-methoxy-2-nitrophenyl)-3,3-dimethylbutanamide
CID 103928804
N-(4-methoxy-2-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 3410037
N-(4-methoxy-2-nitrophenyl)-2-(methylamino)propanamide
CID 60676291
methyl 2-(4-methoxy-2-nitroanilino)propanoate
CID 43515163
4-bromo-N-(4-methoxy-2-nitrophenyl)benzamide
CID 2828426
N-(4-methoxy-2-nitrophenyl)-2,2-dimethylbutanamide
CID 3140520
N-(4-methoxy-2-nitrophenyl)-2-phenylacetamide
CID 3101369
2-hydroxy-N-(4-methoxy-2-nitrophenyl)benzamide
CID 2798189
3-[3-(4-methoxy-2-nitroanilino)-3-oxopropyl]sulfanyl-N-(4-methoxy-2-nitrophenyl)propanamide
CID 5142693

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyimino-N-(4-methoxy-2-nitrophenyl)acetamide?
The IUPAC name of 2-hydroxyimino-N-(4-methoxy-2-nitrophenyl)acetamide (CID 23255692) is 2-hydroxyimino-N-(4-methoxy-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-hydroxyimino-N-(4-methoxy-2-nitrophenyl)acetamide?
The canonical SMILES for 2-hydroxyimino-N-(4-methoxy-2-nitrophenyl)acetamide is COc1ccc(NC(=O)C=NO)c([N+](=O)[O-])c1.
What is the InChIKey of 2-hydroxyimino-N-(4-methoxy-2-nitrophenyl)acetamide?
The InChIKey is CMLIEFWWLSDKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O5/c1-17-6-2-3-7(8(4-6)12(15)16)11-9(13)5-10-14/h2-5,14H,1H3,(H,11,13).
What are the key properties of 2-hydroxyimino-N-(4-methoxy-2-nitrophenyl)acetamide?
2-hydroxyimino-N-(4-methoxy-2-nitrophenyl)acetamide has a molecular weight of 239.19 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-N-(4-methoxy-2-nitrophenyl)acetamide is sourced from PubChem (CID 23255692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).